Geometry & MOs

Info

ID:	221024
PubChem CID:	85256147
Reduced:	OH4C5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	8.08
IP(EA), eV:	-9.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-oxo-4-(3-oxopiperazin-1-yl)but-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=CC(=C(C=C2)C(=O)O)O

DOS

IR

Vibrations